N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine

C15H14F3N7O2 — CID 10045370

IUPACN-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1cc(OC)nc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H14F3N7O2/c1-26-8-5-9(27-2)22-14(21-8)25-6-19-10-11(20-7-3-4-7)23-13(15(16,17)18)24-12(10)25/h5-7H,3-4H2,1-2H3,(H,20,23,24)
InChIKeyYNVYXWAVNOCSJL-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 10045370) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID10045370
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC NameN-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1cc(OC)nc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H14F3N7O2/c1-26-8-5-9(27-2)22-14(21-8)25-6-19-10-11(20-7-3-4-7)23-13(15(16,17)18)24-12(10)25/h5-7H,3-4H2,1-2H3,(H,20,23,24)
InChIKeyYNVYXWAVNOCSJL-UHFFFAOYSA-N
XLogP2.22
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-methoxypyrimidin-2-yl)-9H-purin-6-amine
CID 165997086
N-cyclopropyl-9-(2,6-dimethoxypyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 9951851
9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10155127
N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine
CID 68525273
2-[6-methoxy-2-(trifluoromethyl)purin-9-yl]-N,N-dimethylpyrimidin-4-amine
CID 69052875
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)-7H-purine
CID 133520415
6-methoxy-N-{1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl}pyrimidin-4-amine
CID 171998019
4-methoxy-N-{1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl}pyrimidin-2-amine
CID 171998020
N'-(9-ethylpurin-6-yl)-N-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 125420691
6-methoxy-N-[1-(9H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888040
N-cyclopropyl-6-methoxy-N-[1-(9H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891165
6-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 134069749

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine (CID 10045370) is N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine is COc1cc(OC)nc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is YNVYXWAVNOCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c1-26-8-5-9(27-2)22-14(21-8)25-6-19-10-11(20-7-3-4-7)23-13(15(16,17)18)24-12(10)25/h5-7H,3-4H2,1-2H3,(H,20,23,24).
What are the key properties of N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 381.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).